N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine

C13H22N4O2 — CID 62859800

IUPACN-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCCCCC2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-18-12-15-11(16-13(17-12)19-2)14-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyVASWPFSHBIXPLY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.41
Rot. Bonds4

About N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine

N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 62859800) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID62859800
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCCCCC2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-18-12-15-11(16-13(17-12)19-2)14-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyVASWPFSHBIXPLY-UHFFFAOYSA-N
XLogP2.41
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 62859800) is N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NC2CCCCCCC2)nc(OC)n1.
What is the InChIKey of N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is VASWPFSHBIXPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-12-15-11(16-13(17-12)19-2)14-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).